SCHEMBL2877889

SCHEMBL2877889

CCOC(=O)C1CCc2ncccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2C19 P33261 1/20 0.44
RAB9A P51151 2/20 0.39
TP53 P04637 2/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 2/20 0.38
ATM Q13315 1/20 0.38
BRD4 O60885 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19852371 0.87 KDM4E (0.56) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL2880257 0.80 PDK1 (0.46) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL345667 0.80 ALDH1A1 (0.45) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL2877908 0.80 HRH1 (0.45) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL27654667 0.79 GAA (0.38) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL29683518 0.79 ALDH1A1 (0.55) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL947365 0.79 ALDH1A1 (0.55) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL12156542 0.76 CYP2C19 (0.47) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL12276606 0.76 ALDH1A1 (0.46) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL2883707 0.74 MAPT (0.50) MAPTALDH1A1KDM4EKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 MAPT 287/4885ALDH1A1 2000/4885KDM4E 3605/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.